Ph.D. thesis project on quantum chemical calculations in molecular transition metal and main group element chemistry

The Institute of Inorganic Chemistry of the University of Bonn (Germany) (supervisor: Prof. Dr. A. C. Filippou) seeks a candidate for
for a Ph.D. thesis project to perform quantum chemical calculations on experimental results in the research fields of the group (molecular transition metal and main group element chemistry).

The position is of one year initial appointment with the possibility of extension of up to four years. The group of Prof. Filippou is engaged in experimental and theoretical molecular transition metal, main group element and organometallic chemistry.
The topics of the offered Ph.D. thesis project are
- Triple bonds of transition metals with the elements Si–Pb
- Organosilicon chemistry in low oxidation states
- Metal-centered C-C coupling reactions of diaminoacetylenes

The research comprises quantum chemical calculations (gas phase and solvent approximations (COSMO)), like geometry optimizations, calculations of thermodynamic parameters, analyses of the wave function (molecular orbitals, NBO, AIM, ELF, ETS-NOCV), evaluation of spectroscopic properties (UV/vis, NMR, EPR, IR/Raman) by using ab initio and DFT methods of closed- and open-shell molecules using common QC programs (Orca, Turbomole, ADF, Gaussian) under guidance of an experienced supervisor.

The co-workers of our mainly experimentally oriented research group are working at the above mentioned fields and provide numerous experimental results, which need to be explained and understood by means of theory. An active exchange of ideas between the candidate and the experimentalists is highly desired. Assistance in maintaining the work group computer infrastructure is an additional part of the work.

We offer very attractive research facilities in both experimental and computational chemistry. Besides an own computer cluster we have access to larger computational facilities (part of the SFB 813).
Required qualifications are: diploma or master degree (or equivalent) above average with strong interest/good knowledge in computational chemistry and inorganic/organometallic molecular chemistry, as well as fluent English (or German), good interpersonal communication skills, and interest to teach and work with students.

Please submit your application preferably by email, which should include a curriculum vitae with your qualifications, undergraduate and graduate transcripts including a summary of the master thesis (5 pages), a letter of motivation, a photo, two letters of recommendation and (if available) a list of publications to:

Postal address:
Institut für Anorganische Chemie
Prof. Dr. A. C. Filippou
Gerhard-Domagk-Straße 1
D-53121 Bonn
E-Mail: [Email Address Removed]

Homepage: https://www.filippou.chemie.uni-bonn.de.

Applications are accepted all year round.